input word = C00041001

Metabolite InformationStructural formula
Name Humilinolide C
Formula C34H42O10
Mw 610.27779756
CAS RN 152110-06-0
C_ID C00041001 ,
InChIKey UMAZUSDJQFBJAR-GIJQJNRQNA-N
InChICode InChI=1S/C34H42O10/c1-9-18(2)28(38)43-30-31(4,5)24(15-25(36)40-8)33(7)22-10-12-32(6)23(14-26(37)42-27(32)20-11-13-41-17-20)21(22)16-34(30,29(33)39)44-19(3)35/h9,11,13,16-17,22-24,27,30H,10,12,14-15H2,1-8H3/b18-9+/t22-,23-,24-,27-,30-,32+,33+,34-/m0/s1
SMILES C1=C2[C@@H]([C@@]3([C@H](C([C@@H]([C@@]1(OC(=O)C)C3=O)OC(=O)/C(=C/C)/C)(C)C)CC(=O)OC)C)CC[C@@]1([C@H]2CC(=O)O[C@H]1c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
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OrganismSwietenia humilis Zucc.
ReferenceJimenez,Phytochem.,49,(1998),1981